N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline;dichloronickel

C26H27Cl2N5Ni — CID 139241229

IUPACN,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline;dichloronickel
SMILESCCn1c(CN(Cc2nc3ccccc3n2CC)c2ccccc2)nc2ccccc21.Cl[Ni]Cl
InChIInChI=1S/C26H27N5.2ClH.Ni/c1-3-30-23-16-10-8-14-21(23)27-25(30)18-29(20-12-6-5-7-13-20)19-26-28-22-15-9-11-17-24(22)31(26)4-2;;;/h5-17H,3-4,18-19H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyLROZISMNLMPVBM-UHFFFAOYSA-L
MW539.14 g/mol
LogP7.01
Rot. Bonds7

About N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline;dichloronickel

N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline;dichloronickel (PubChem CID 139241229) has the molecular formula C26H27Cl2N5Ni and a molecular weight of 539.14 g/mol. Its IUPAC name is N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline;dichloronickel.

Molecular Properties

Compound NameN,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline;dichloronickel
PubChem CID139241229
Molecular FormulaC26H27Cl2N5Ni
Molecular Weight539.14 g/mol
Exact Mass537.10
IUPAC NameN,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline;dichloronickel
SMILESCCn1c(CN(Cc2nc3ccccc3n2CC)c2ccccc2)nc2ccccc21.Cl[Ni]Cl
InChIInChI=1S/C26H27N5.2ClH.Ni/c1-3-30-23-16-10-8-14-21(23)27-25(30)18-29(20-12-6-5-7-13-20)19-26-28-22-15-9-11-17-24(22)31(26)4-2;;;/h5-17H,3-4,18-19H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyLROZISMNLMPVBM-UHFFFAOYSA-L
XLogP7.01
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.14
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline
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2-(1-ethylbenzimidazol-2-yl)acetaldehyde
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(1-ethylbenzimidazol-2-yl)methylazanium chloride
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CID 59065201
CID 59065201
N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine
CID 84585943
(3S,4R)-4-[(1-ethylbenzimidazol-2-yl)methyl-methylamino]oxolan-3-ol
CID 133123786
N-[(1-ethylbenzimidazol-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 51096302
ethane;2-(1-ethylbenzimidazol-2-yl)ethanol
CID 142101886
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline;dichloronickel?
The IUPAC name of N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline;dichloronickel (CID 139241229) is N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline;dichloronickel.
What is the SMILES notation for N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline;dichloronickel?
The canonical SMILES for N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline;dichloronickel is CCn1c(CN(Cc2nc3ccccc3n2CC)c2ccccc2)nc2ccccc21.Cl[Ni]Cl.
What is the InChIKey of N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline;dichloronickel?
The InChIKey is LROZISMNLMPVBM-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H27N5.2ClH.Ni/c1-3-30-23-16-10-8-14-21(23)27-25(30)18-29(20-12-6-5-7-13-20)19-26-28-22-15-9-11-17-24(22)31(26)4-2;;;/h5-17H,3-4,18-19H2,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline;dichloronickel?
N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline;dichloronickel has a molecular weight of 539.14 g/mol, XLogP of 7.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline;dichloronickel is sourced from PubChem (CID 139241229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).